3-Methyl-1-benzothiophene-5-carboxylic acid
TL;DR: 3-Methyl-1-benzothiophene-5-carboxylic acid (CAS 19404-24-1) is a chemical compound with molecular formula C10H8O2S and molecular weight 192.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-benzothiophene-5-carboxylic acid
Also Known As: 3-methyl-1-benzothiophene-5-carboxylic acid, 3-methylbenzo[b]thiophene-5-carboxylic acid, 3-methylbenzothiophene-5-carboxylic, Benzo[b]thiophene-5-carboxylic acid, 3-methyl-, AA-516/33242017
| Molecular Formula | C10H8O2S |
|---|---|
| Molecular Weight | 192.02 g/mol |
| LogP | 2.90792 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.0245 |
| Heavy Atoms | 13 |
| Complexity | 470.72952 |
Chemical Identifiers
| CAS Number | 19404-24-1 |
|---|---|
| SMILES | CC1=CSC2=C1C=C(C=C2)C(=O)O |
Product Overview
3-Methyl-1-benzothiophene-5-carboxylic acid (CAS 19404-24-1), with molecular formula C10H8O2S and molecular weight 192.02 g/mol. IUPAC: 3-methyl-1-benzothiophene-5-carboxylic acid.
Chemical Property Profile of 3-Methyl-1-benzothiophene-5-carboxylic acid
Property Insights of 3-Methyl-1-benzothiophene-5-carboxylic acid
The XLogP value of 2.90792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-benzothiophene-5-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-1-benzothiophene-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-benzothiophene-5-carboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methyl-1-benzothiophene-5-carboxylic acid?
The CAS number of 3-Methyl-1-benzothiophene-5-carboxylic acid is 19404-24-1.
What is the molecular formula of 3-Methyl-1-benzothiophene-5-carboxylic acid?
The molecular formula of 3-Methyl-1-benzothiophene-5-carboxylic acid is C10H8O2S.
What is the molecular weight of 3-Methyl-1-benzothiophene-5-carboxylic acid?
The molecular weight of 3-Methyl-1-benzothiophene-5-carboxylic acid is 192.02 g/mol.
Where can I buy 3-Methyl-1-benzothiophene-5-carboxylic acid?
You can request a quote for 3-Methyl-1-benzothiophene-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-benzothiophene-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-benzothiophene-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.